4-(1-benzo[a]carbazol-11-yldibenzofuran-4-yl)-2-phenyl-6-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine

C56H33N3O2 — CID 174311955

IUPAC4-(1-benzo[a]carbazol-11-yldibenzofuran-4-yl)-2-phenyl-6-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3ccc4oc5nc(-c6ccccc6)nc(-c6ccc(-n7c8ccccc8c8ccc9ccccc9c87)c7c6oc6ccccc67)c5c4c3)cc2)cc1
InChIInChI=1S/C56H33N3O2/c1-3-13-34(14-4-1)35-23-25-36(26-24-35)39-28-32-49-45(33-39)51-52(57-55(58-56(51)61-49)38-16-5-2-6-17-38)44-30-31-47(50-43-20-10-12-22-48(43)60-54(44)50)59-46-21-11-9-19-41(46)42-29-27-37-15-7-8-18-40(37)53(42)59/h1-33H
InChIKeyUHWVUEUUOSULKZ-UHFFFAOYSA-N
MW779.90 g/mol
LogP15.19
Rot. Bonds5

About 4-(1-benzo[a]carbazol-11-yldibenzofuran-4-yl)-2-phenyl-6-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine

4-(1-benzo[a]carbazol-11-yldibenzofuran-4-yl)-2-phenyl-6-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 174311955) has the molecular formula C56H33N3O2 and a molecular weight of 779.90 g/mol. Its IUPAC name is 4-(1-benzo[a]carbazol-11-yldibenzofuran-4-yl)-2-phenyl-6-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(1-benzo[a]carbazol-11-yldibenzofuran-4-yl)-2-phenyl-6-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine
PubChem CID174311955
Molecular FormulaC56H33N3O2
Molecular Weight779.90 g/mol
Exact Mass779.26
IUPAC Name4-(1-benzo[a]carbazol-11-yldibenzofuran-4-yl)-2-phenyl-6-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3ccc4oc5nc(-c6ccccc6)nc(-c6ccc(-n7c8ccccc8c8ccc9ccccc9c87)c7c6oc6ccccc67)c5c4c3)cc2)cc1
InChIInChI=1S/C56H33N3O2/c1-3-13-34(14-4-1)35-23-25-36(26-24-35)39-28-32-49-45(33-39)51-52(57-55(58-56(51)61-49)38-16-5-2-6-17-38)44-30-31-47(50-43-20-10-12-22-48(43)60-54(44)50)59-46-21-11-9-19-41(46)42-29-27-37-15-7-8-18-40(37)53(42)59/h1-33H
InChIKeyUHWVUEUUOSULKZ-UHFFFAOYSA-N
XLogP15.19
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.90
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-benzo[b]carbazol-5-yldibenzofuran-1-yl)-2,6-diphenyl-[1]benzofuro[2,3-d]pyrimidine
CID 174311943
11-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]benzo[a]carbazole
CID 164847979
12-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-6-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 164847760
6-(8-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-11-yl)-2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidine
CID 174312077
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-10-phenylbenzo[c]carbazole
CID 164847819
4,8-diphenyl-2-[4-[8-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-yl]triphenylen-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 174312017
2,6-diphenyl-4-[8-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]dibenzofuran-1-yl]-[1]benzofuro[2,3-d]pyrimidine
CID 170529246
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[a]carbazole
CID 164847928
9-[8-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]-3-phenylcarbazole
CID 166744441
4-phenyl-2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 130333492
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[a]carbazole
CID 164847730
4-(7-benzo[b]carbazol-5-ylnaphtho[1,2-b][1]benzofuran-10-yl)-2-dibenzofuran-1-yl-8-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 174311983

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzo[a]carbazol-11-yldibenzofuran-4-yl)-2-phenyl-6-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 4-(1-benzo[a]carbazol-11-yldibenzofuran-4-yl)-2-phenyl-6-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine (CID 174311955) is 4-(1-benzo[a]carbazol-11-yldibenzofuran-4-yl)-2-phenyl-6-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 4-(1-benzo[a]carbazol-11-yldibenzofuran-4-yl)-2-phenyl-6-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 4-(1-benzo[a]carbazol-11-yldibenzofuran-4-yl)-2-phenyl-6-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine is c1ccc(-c2ccc(-c3ccc4oc5nc(-c6ccccc6)nc(-c6ccc(-n7c8ccccc8c8ccc9ccccc9c87)c7c6oc6ccccc67)c5c4c3)cc2)cc1.
What is the InChIKey of 4-(1-benzo[a]carbazol-11-yldibenzofuran-4-yl)-2-phenyl-6-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is UHWVUEUUOSULKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N3O2/c1-3-13-34(14-4-1)35-23-25-36(26-24-35)39-28-32-49-45(33-39)51-52(57-55(58-56(51)61-49)38-16-5-2-6-17-38)44-30-31-47(50-43-20-10-12-22-48(43)60-54(44)50)59-46-21-11-9-19-41(46)42-29-27-37-15-7-8-18-40(37)53(42)59/h1-33H.
What are the key properties of 4-(1-benzo[a]carbazol-11-yldibenzofuran-4-yl)-2-phenyl-6-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine?
4-(1-benzo[a]carbazol-11-yldibenzofuran-4-yl)-2-phenyl-6-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 779.90 g/mol, XLogP of 15.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzo[a]carbazol-11-yldibenzofuran-4-yl)-2-phenyl-6-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 174311955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).